diff --git a/docs/source/conf.py b/docs/source/conf.py index daf1a97f5..0ec2625d2 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -44,6 +44,7 @@ 'sphinx.ext.autosummary', 'sphinx.ext.viewcode', 'sphinx.ext.napoleon', + 'sphinx.ext.extlinks', 'sphinx_design', 'sphinxcontrib.autodoc_pydantic', 'sphinx_copybutton', @@ -91,7 +92,7 @@ "molssi_dark": "molssi_main_logo_inverted_white.png", }, "show_toc_level": 2, - "header_links_before_dropdown": 4, + "header_links_before_dropdown": 8, "external_links": [ {"name": "MolSSI", "url": "https://molssi.org"} ], @@ -108,3 +109,11 @@ # relative to this directory. They are copied after the builtin static files, # so a file named "default.css" will overwrite the builtin "default.css". html_static_path = ['_static'] + +# -- extlinks extension ---------------------------------------------------- + +extlinks = { + 'issue': ('https://github.com/MolSSI/QCFractal/issues/%s', 'Issue %s'), + 'pr': ('https://github.com/MolSSI/QCFractal/pull/%s', 'PR %s'), + 'contrib': ('https://github.com/%s', '@%s'), +} diff --git a/docs/source/index.rst b/docs/source/index.rst index 5c4b0cdfb..ff21e9b21 100644 --- a/docs/source/index.rst +++ b/docs/source/index.rst @@ -78,6 +78,7 @@ ensures a streamlined experience with quantum computations. Quickstart Overview User Guide + Release Notes Admin Guide Web API Developer Guide diff --git a/docs/source/release_notes.rst b/docs/source/release_notes.rst new file mode 100644 index 000000000..243e48d5b --- /dev/null +++ b/docs/source/release_notes.rst @@ -0,0 +1,36 @@ +Release Notes +============= + +0.51 / 2023-09-12 +----------------- + +Many new improvements, but very little in the way of breaking changes. Upgrading qcportal is recommended +due to efficiency gains, but is not required. + +Notable pull requests and features: + +- (:pr:`745`) Compute manager documentation (D. Dotson :contrib:`dotsdl`) +- (:pr:`750`) Use a [computed/generated column](https://www.postgresql.org/docs/current/ddl-generated-columns.html) for lower-case dataset names (lname) +- (:pr:`751`) Some cleanups, including removing dependence of `geometric_nextchain.py` on QCPortal +- (:pr:`752`) Tests requiring geoip test data are now automatically skipped if not available +- (:pr:`753`) Improve/Fix JWT handling +- (:pr:`757`) Gracefully handle missing User-Agent +- (:pr:`758`) Requests now will be automatically retried in case of connection or networking issues +- (:pr:`759`) Implement functionality for checking why a record is in the waiting state +- (:pr:`760`) Add existing_ok=True for add_dataset +- (:pr:`761`) Handle duplicates and renames in qcvars +- (:pr:`762`) Add display of number of records in a dataset, and ability to get number of records in a dataset +- (:pr:`763`) reset_records() only resets errored records now +- (:pr:`764`) Add ability to get a list of properties computed in a dataset +- (:pr:`765`) Improve compile_values and related functions (J. Nash :contrib:`janash`) +- (:pr:`768`) Enable use of environment variables when specifying paths in the compute manager config +- (:pr:`769`) Improve the efficiency of adding large numbers of entries to a dataset +- (:pr:`773`) Improve manager logging of task and record information +- (:pr:`774`) Removed forced version checks between client and server +- (:pr:`775`) Add automatic batching in ds.add_entries() and ds.submit() + + +0.50 / 2023-09-12 +----------------- + +Major refactoring of everything. Too many changes to enumerate, but see [docs](https://molssi.github.io/QCFractal) for details.